Superelectrophilic Gallium(III) Homodimers in Gallium Chloride-Mediated Methylation of Benzene: A Theoretical Study

ACS Catalysis ◽

10.1021/acscatal.9b05509 ◽

2020 ◽

Vol 10 (5) ◽

pp. 3027-3033 ◽

Author(s):

Shengwen Yang ◽

Christophe Bour ◽

Vincent Gandon

Keyword(s):

Theoretical Study ◽

Gallium Chloride

Download Full-text

Theoretical study of the gallium chloride molecule and its interaction with arsenic dangling bonds

Physical Review B ◽

10.1103/physrevb.47.13420 ◽

1993 ◽

Vol 47 (20) ◽

pp. 13420-13431 ◽

Author(s):

Yuji Mochizuki ◽

Toshikazu Takada ◽

Akira Usui

Keyword(s):

Theoretical Study ◽

Dangling Bonds ◽

Gallium Chloride ◽

Chloride Molecule

Download Full-text

The effect of cardiac output changes on end-expired volatile anaesthetic concentrations - a theoretical study

Anaesthesia ◽

10.1046/j.1365-2044.2001.02212.x ◽

2001 ◽

Vol 56 (11) ◽

pp. 1034-1040 ◽

Author(s):

R. R. Kennedy ◽

A. B. Baker

Keyword(s):

Cardiac Output ◽

Theoretical Study ◽

Volatile Anaesthetic

Download Full-text

Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

Download Full-text

RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation

Molecular Physics ◽

10.1080/002689799164261 ◽

1999 ◽

Vol 96 (12) ◽

pp. 1817-1822

Author(s):

TRUNG NGOC LE, LOC THANH NGUYEN, MINH THO

Keyword(s):

Theoretical Study ◽

Research Note ◽

Reactions Mechanism

Download Full-text

Molecular Ordering of a Nematogen at Phase Transition Temperature - A Theoretical Study

Phase Transitions ◽

10.1080/01411590290008352a ◽

2002 ◽

Vol 75 (4-5) ◽

pp. 413-421

Author(s):

Durga Prasad Ojha ◽

Devesh Kumar ◽

V.G.K.M. Pisipati

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Phase Transition Temperature ◽

Theoretical Study ◽

Molecular Ordering

Download Full-text

Theoretical study of C60O2 molecular properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04855-5 ◽

1997 ◽

Vol 392 (1) ◽

pp. 217-221 ◽

Author(s):

S Zhenfeng

Keyword(s):

Theoretical Study ◽

Molecular Properties

Download Full-text

Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

Journal de Chimie Physique ◽

10.1051/jcp/1987840799 ◽

1987 ◽

Vol 84 ◽

pp. 799-803 ◽

Author(s):

Vincenzo Barone ◽

Francesco Lelj ◽

Nino Russo ◽

Marirosa Toscano

Keyword(s):

Theoretical Study

Download Full-text

Theoretical study of the homologous reactions of ground-state oxygen atoms with Br2 and BrCI molecules

Journal de Chimie Physique ◽

10.1051/jcp/1995921214 ◽

1995 ◽

Vol 92 ◽

pp. 1214-1232 ◽

Author(s):

E Drougas ◽

AM Kosmas

Keyword(s):

Ground State ◽

Theoretical Study ◽

Download Full-text

Theoretical study of photoconductivity and refractive index change in LiNbO3:Fe

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2005123067 ◽

2005 ◽

Vol 123 ◽

pp. 365-369

Author(s):

M. A. Ouabbou ◽

D. Khatib

Keyword(s):

Refractive Index ◽

Theoretical Study ◽

Refractive Index Change ◽

Download Full-text

Theoretical study of the instability of a homeotropic nematic submitted to an elliptical shear

Journal de Physique ◽

10.1051/jphys:01981004207091500 ◽

1981 ◽

Vol 42 (7) ◽

pp. 915-928 ◽

Author(s):

J. Sadik ◽

F. Rothen ◽

W. Bestgen ◽

E. Dubois-Violette

Keyword(s):

Theoretical Study

Download Full-text